(1-butylpyrazol-4-yl)-phenyl-(trifluoromethylsulfonyl)-$l^{3}-iodane

Systemtic Name: (1-butylpyrazol-4-yl)-phenyl-(trifluoromethylsulfonyl)-$l^{3}-iodane Openeye Name: (1-butylpyrazol-4-yl)-phenyl-(trifluoromethylsulfonyl)-$l^{3}-iodane CAS Name: (1-butyl-4-pyrazolyl)-phenyl-(trifluoromethylsulfonyl)-$l^{3}-iodane IUPAC Name: (1-butylpyrazol-4-yl)-phenyl-(trifluoromethylsulfonyl)-$l^{3}-iodane Traditional Name: (1-butylpyrazol-4-yl)-phenyl-triflyl-$l^{3}-iodane Formula: C14H16F3IN2O2S MolecularWeight: 460.25372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C=N1)I(C2=CC=CC=C2)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCN1C=C(C=N1)I(C2=CC=CC=C2)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C14H16F3IN2O2S/c1-2-3-9-20-11-13(10-19-20)18(12-7-5-4-6-8-12)23(21,22)14(15,16)17/h4-8,10-11H,2-3,9H2,1H3